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Triethylamine → HCID 73672049、化合物

HRID 710029
ノート
印刷プレビュー

反応式

HRID 710029 の反応式
[F:1][C:2]([F:17])([C:6]1([OH:16])[CH2:11][C:10]([CH3:13])([CH3:12])[CH2:9][C:8]([CH3:15])([CH3:14])[CH2:7]1)[C:3]([O-:5])=O.CCN(CC)CC.[CH3:25][O:26][C:27]1[CH:28]=[C:29]([CH:42]=[CH:43][C:44]=1[O:45][CH3:46])[O:30][CH2:31][C:32]1[O:36][N:35]=[C:34]([C@@H:37]2[CH2:41][CH2:40][CH2:39][NH:38]2)[CH:33]=1>C1COCC1.ClC(OCC)=O>[CH3:25][O:26][C:27]1[CH:28]=[C:29]([CH:42]=[CH:43][C:44]=1[O:45][CH3:46])[O:30][CH2:31][C:32]1[O:36][N:35]=[C:34]([C@@H:37]2[CH2:41][CH2:40][CH2:39][N:38]2[C:3](=[O:5])[C:2]([F:1])([F:17])[C:6]2([OH:16])[CH2:11][C:10]([CH3:13])([CH3:12])[CH2:9][C:8]([CH3:15])([CH3:14])[CH2:7]2)[CH:33]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 8471TriethylamineHCID 86706740HCID 86706740、化合物2 回HCID 86706741HCID 86706741、化合物

生成物 1

HCID 73672049HCID 73672049、化合物収率 217%

試薬・触媒・溶媒 2

HCID 8028Tetrahydrofuran溶媒2 回HCID 10928
Ethyl chloroformate
溶媒

実験手順

To a solution of 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetate (87.83 g) and Et3N (122 mL) in THF (2000 mL), ethyl chloroformate (30.8 mL) was added at room temperature and the mixture was stirred for 30 minutes. To the reaction mixture, a THF (500 mL) solution of the compound (89.00 g) obtained in Example 1-(1) was added dropwise at room temperature over an hour and the mixture was stirred at room temperature for 20 hours. The reaction mixture was concentrated and AcOEt (2 L) and a saturated aqueous solution of NH4Cl (2 L) were added; after filtering the insoluble matter, the organic layer was separated and washed with saturated aqueous sodium bicarbonate (2 L), dried (MgSO4), filtered and concentrated to give a crude product (165.0 g). A similar method was applied using 2,2-difluoro-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetate (34.64 g) and (S)-5-((3,4-dimethoxyphenoxy)methyl)-3-(pyrrolidin-2-yl)isoxazole (35.10 g) to give a crude product (60.10 g), which was combined with the first crude product and further purified by silica gel chromatography (AcOEt/hexane) and NH-form silica gel chromatography (AcOEt/hexane); the purified product was recrystallized (Et2O/pentane) to give the titled compound (134.30 g, colorless powder.)

後処理

  1. additionwas added dropwise at room temperature over an hour
  2. stirringthe mixture was stirred at room temperature for 20 hours
  3. concentrationThe reaction mixture was concentrated
  4. additionAcOEt (2 L) and a saturated aqueous solution of NH4Cl (2 L) were added
  5. filtrationafter filtering the insoluble matter
  6. customthe organic layer was separated
  7. washwashed with saturated aqueous sodium bicarbonate (2 L)
  8. dry with materialdried (MgSO4)
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customto give a crude product (165.0 g)
  12. customto give a crude product (60.10 g), which
  13. customfurther purified by silica gel chromatography (AcOEt/hexane) and NH-form silica gel chromatography (AcOEt/hexane)
  14. customthe purified product was recrystallized (Et2O/pentane)

出典と根拠

ORDレコード
ord-3efaf11e8353469bae796f9a5a7cc20c
出典データセット
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09181229B2

反応ノート

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